A combined NRVS and DFT study of FeIV=O model complexes: A diagnostic method for the elucidation of non-heme iron enzyme intermediates

Caleb B. Bell; Shaun D. Wong; Yuming Xiao; Eric J. Klinker; Adam L. Tenderholt; Matt C. Smith; Jan Uwe Rohde; Larry Que; Stephen P. Cramer; Edward I. Solomon

doi:10.1002/anie.200803740

A combined NRVS and DFT study of Fe^IV=O model complexes: A diagnostic method for the elucidation of non-heme iron enzyme intermediates

Caleb B. Bell, Shaun D. Wong, Yuming Xiao, Eric J. Klinker, Adam L. Tenderholt, Matt C. Smith, Jan Uwe Rohde, Larry Que, Stephen P. Cramer, Edward I. Solomon

Chemistry (Twin Cities)

Research output: Contribution to journal › Article › peer-review

45 Scopus citations

Abstract

(Figure Presented) In the swing of things: Fe^IV=O biomimetic model complexes (see picture, Fe green, O red, N blue, C black) have been characterized using nuclear vibrational resonance spectroscopy. Systematic trends in the low-energy region reflect equatorial and axial bonding differences that relate to differences in reactivity. These trends have been computationally extended to predict the spectra of putative Fe^IV=O intermediates in non-heme iron enzymes.

Original language	English (US)
Pages (from-to)	9071-9074
Number of pages	4
Journal	Angewandte Chemie - International Edition
Volume	47
Issue number	47
DOIs	https://doi.org/10.1002/anie.200803740
State	Published - Nov 10 2008

Keywords

Bioinorganic chemistry
Iron
Nuclear vibrational resonance spectroscopy
X-ray absorption spectroscopy

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Bell, C. B., Wong, S. D., Xiao, Y., Klinker, E. J., Tenderholt, A. L., Smith, M. C., Rohde, J. U., Que, L., Cramer, S. P., & Solomon, E. I. (2008). A combined NRVS and DFT study of Fe^IV=O model complexes: A diagnostic method for the elucidation of non-heme iron enzyme intermediates. Angewandte Chemie - International Edition, 47(47), 9071-9074. https://doi.org/10.1002/anie.200803740

Bell, CB, Wong, SD, Xiao, Y, Klinker, EJ, Tenderholt, AL, Smith, MC, Rohde, JU, Que, L, Cramer, SP & Solomon, EI 2008, 'A combined NRVS and DFT study of Fe^IV=O model complexes: A diagnostic method for the elucidation of non-heme iron enzyme intermediates', Angewandte Chemie - International Edition, vol. 47, no. 47, pp. 9071-9074. https://doi.org/10.1002/anie.200803740

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abstract = "(Figure Presented) In the swing of things: FeIV=O biomimetic model complexes (see picture, Fe green, O red, N blue, C black) have been characterized using nuclear vibrational resonance spectroscopy. Systematic trends in the low-energy region reflect equatorial and axial bonding differences that relate to differences in reactivity. These trends have been computationally extended to predict the spectra of putative FeIV=O intermediates in non-heme iron enzymes.",

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AU - Klinker, Eric J.

AU - Tenderholt, Adam L.

AU - Smith, Matt C.

AU - Rohde, Jan Uwe

AU - Que, Larry

AU - Cramer, Stephen P.

AU - Solomon, Edward I.

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KW - Iron

KW - Nuclear vibrational resonance spectroscopy

KW - X-ray absorption spectroscopy

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